6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine

C17H16BrNO — CID 81260554

IUPAC6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
SMILESCC(Cc1ccco1)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H16BrNO/c1-12(9-17-3-2-8-20-17)19-16-7-5-13-10-15(18)6-4-14(13)11-16/h2-8,10-12,19H,9H2,1H3
InChIKeyMOAZZUAOKGMQON-UHFFFAOYSA-N
MW330.23 g/mol
LogP5.24
Rot. Bonds4

About 6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine

6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine (PubChem CID 81260554) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
PubChem CID81260554
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
SMILESCC(Cc1ccco1)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H16BrNO/c1-12(9-17-3-2-8-20-17)19-16-7-5-13-10-15(18)6-4-14(13)11-16/h2-8,10-12,19H,9H2,1H3
InChIKeyMOAZZUAOKGMQON-UHFFFAOYSA-N
XLogP5.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.23
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
2-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 107281770
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline
CID 63098725
N-[1-(furan-2-yl)propan-2-yl]-5-methylpyridin-3-amine
CID 107584649
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
6-bromo-N-hexan-2-ylnaphthalen-2-amine
CID 81259713
3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 63098734
6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 63085271
4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63084467
1-(6-bromonaphthalen-2-yl)-2-(furan-2-yl)ethanamine
CID 105029613
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine (CID 81260554) is 6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine is CC(Cc1ccco1)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine?
The InChIKey is MOAZZUAOKGMQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-12(9-17-3-2-8-20-17)19-16-7-5-13-10-15(18)6-4-14(13)11-16/h2-8,10-12,19H,9H2,1H3.
What are the key properties of 6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine?
6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine has a molecular weight of 330.23 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine is sourced from PubChem (CID 81260554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).